首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 46 毫秒
1.
In the crystal structure of [Cu(CF3SO3)(C2N3)(C8H7N5)2]·0.5C2H6O, the CuII atom adopts a distorted octahedral geometry, with the basal plane formed by two N atoms of one dipyrimidinyl­amine ligand, one N atom of the second pyrimidine ligand and a nitrile N atom of the dicyan­amide anion [Cu—N = 1.972 (2)–2.021 (2) Å]. The apical positions are occupied by an N atom of the second ligand [Cu—N = 2.208 (2) Å], and an O atom of the tri­fluoro­methane­sulfonate anion [Cu—O = 2.747 (2) Å] at a semi‐coordination distance. Pairs of inversion‐related N—H⋯N hydrogen bonds of the so‐called Watson–Crick type, augmented by two C—H⋯N contacts, link adjacent complexes into an infinite one‐dimensional chain running in the [101] direction.  相似文献   

2.
The stoichiometric reaction of copper(II) hydroxycarbonate, iminodiacetic acid (H2IDA = HN(CH2CO2H)2) and α‐picolinamide (pya) in water yields crystalline samples of (α‐picolinamide)(iminodiacetato)copper(II) dihydrate, [Cu(IDA)(pya)] · 2 H2O ( 1 ). The compound was characterised by thermal (TG analysis with FT‐IR study of the evolved gasses), spectral (IR, electronic and ESR spectra), magnetic and single crystal X‐ray diffraction methods. It crystallises in the triclinic system, space group P1, a = 8.8737(4), b = 10.23203(5), c = 15.7167(11) Å, α = 77.61(1)°, β = 103.89(1)°, γ = 80.32(1)°, Z = 4, final R1 = 0.056. The asymmetric unit contains two crystallographic independent molecules but chemically very similar ones. The CuII atom exhibits a square base pyramidal coordination (type 4 + 1). pya acts as N,O‐bidentate ligand supplying two among the four closest donor atoms of the metal [averaged bond distances (Å): Cu–N = 1.982(2), Cu–O(amide) = 1.972(2)]. IDA plays a N,O,O′‐terdentate chelating role [averaged bond distances (Å): Cu–N = 2.004(3), Cu–O = 1.941(2) and Cu–O = 2.242(2)]. The coordinating behaviour of pya in 1 is discussed on the basis of its N,O‐bidentate chelating role and the preference of the ‘Cu‐iminodiacetato' moiety [Cu(IDA)] to link the N‐heterocyclic donor of pya in trans versus the Cu–N(IDA) bond. Consistently the ligand pya is able to impose a fac‐chelating configuration to IDA one around the copper(II) as previously has been reported to mixed‐ligand complexes having a 1/1/2 CuII/IDA/N(heterocyclic) donor ratio or a closely related 1/1/1/1 CuII/IDA/N(heterocyclic)/N(aliphatic) one.  相似文献   

3.
The bimetallic title complex, [CuFe(CN)5(C12H30N6O2)(NO)] or [Cu(L)Fe(CN)5(NO)] [where L is 1,8‐bis(2‐hydroxy­ethyl)‐1,3,6,8,10,13‐hexa­aza­cyclo­tetra­decane], has a one‐dimensional zigzag polymeric –Cu(L)–NC–Fe(NO)(CN)3–CN–Cu(L)– chain, in which the CuII and FeII centres are linked by two CN groups. In the complex, the CuII ion is coordinated by four N atoms from the L ligand [Cu—N(L) = 1.999 (2)–2.016 (2) Å] and two cyanide N atoms [Cu—N = 2.383 (2) and 2.902 (3) Å], and has an elongated octahedral geometry. The FeII centre is in a distorted octahedral environment, with Fe—N(nitroso) = 1.656 (2) Å and Fe—C(CN) = 1.938 (3)–1.948 (3) Å. The one‐dimensional zigzag chains are linked to form a three‐dimensional network via N—H⋯N and O—H⋯N hydrogen bonds.  相似文献   

4.
The title compound, [Cu(C9H5N2O3)2(C2H6OS)2], consists of octahedrally coordinated CuII ions, with the 3‐oxo‐3,4‐dihydroquinoxaline‐2‐carboxylate ligands acting in a bidentate manner [Cu—O = 1.9116 (14) Å and Cu—N = 2.1191 (16) Å] and a dimethyl sulfoxide (DMSO) molecule coordinated axially via the O atom [Cu—O = 2.336 (5) and 2.418 (7) Å for the major and minor disorder components, respectively]. The whole DMSO molecule exhibits positional disorder [0.62 (1):0.38 (1)]. The octahedron around the CuII atom, which lies on an inversion centre, is elongated in the axial direction, exhibiting a Jahn–Teller effect. The ligand exhibits tautomerization by H‐atom transfer from the hydroxyl group at position 3 to the N atom at position 4 of the quinoxaline ring of the ligand. The complex molecules are linked through an intermolecular N—H...O hydrogen bond [N...O = 2.838 (2) Å] formed between the quinoxaline NH group and a carboxylate O atom, and by a weak intermolecular C—H...O hydrogen bond [3.392 (11) Å] formed between a carboxylate O atom and a methyl C atom of the DMSO ligand. There is a weak intramolecular C—H...O hydrogen bond [3.065 (3) Å] formed between a benzene CH group and a carboxylate O atom.  相似文献   

5.
In trans‐bis(5‐n‐butyl­pyridine‐2‐carboxyl­ato‐κ2N,O)­bis­(methanol‐κO)copper(II), [Cu(C10H12NO2)2(CH4O)2], the Cu atom lies on a centre of symmetry and has a distorted octahedral coordination. The Cu—O(methanol) bond length in the axial direction is 2.596 (3) Å, which is much longer than the Cu—­O(carboxylate) and Cu—N distances in the equatorial plane [1.952 (2) and 1.977 (2) Å, respectively]. In mer‐tris(5‐n‐bu­tyl­pyridine‐2‐carboxyl­ato‐κ2N,O)­iron(III), [Fe(C10H12NO2)3], the Fe atom also has a distorted octahedral geometry, with Fe—O and Fe—N bond‐length ranges of 1.949 (4)–1.970 (4) and 2.116 (5)–2.161 (5) Å, respectively. Both crystals are stabilized by stacking interactions of the 5‐n‐butyl­pyridine‐2‐carboxyl­ate ligand, although hydrogen bonds also contribute to the stabilization of the copper(II) complex.  相似文献   

6.
One μ‐alkoxo‐μ‐carboxylato bridged dinuclear copper(II) complex, [Cu2(L1)(μ‐C6H5CO2)] ( 1 )(H3L1 = 1,3‐bis(salicylideneamino)‐2‐propanol)), and two μ‐alkoxo‐μ‐dicarboxylato doubly‐bridged tetranuclear copper(II) complexes, [Cu4(L1)2(μ‐C8H10O4)(DMF)2]·H2O ( 2 ) and [Cu4(L2)2(μ‐C5H6O4]·2H2O·2CH3CN ( 3 ) (H3L2 = 1,3‐bis(5‐bromo‐salicylideneamino)‐2‐propanol)) have been prepared and characterized. The single crystal X‐ray analysis shows that the structure of complex 1 is dimeric with two adjacent copper(II) atoms bridged by μ‐alkoxo‐μ‐carboxylato ligands where the Cu···Cu distances and Cu‐O(alkoxo)‐Cu angles are 3.5 11 Å and 132.8°, respectively. Complexes 2 and 3 consist of a μ‐alkoxo‐μ‐dicarboxylato doubly‐bridged tetranuclear Cu(II) complex with mean Cu‐Cu distances and Cu‐O‐Cu angles of 3.092 Å and 104.2° for 2 and 3.486 Å and 129.9° for 3 , respectively. Magnetic measurements reveal that 1 is strong antiferromagnetically coupled with 2J =‐210 cm?1 while 2 and 3 exhibit ferromagnetic coupling with 2J = 126 cm?1 and 82 cm?1 (averaged), respectively. The 2J values of 1–3 are correlated to dihedral angles and the Cu‐O‐Cu angles. Dependence of the pH at 25 °C on the reaction rate of oxidation of 3,5‐di‐tert‐butylcatechol (3,5‐DTBC) to the corresponding quinone (3,5‐DTBQ) catalyzed by 1–3 was studied. Complexes 1–3 exhibit catecholase‐like active at above pH 8 and 25 °C for oxidation of 3,5‐di‐tert‐butylcatechol.  相似文献   

7.
The title complex, [Cu(C12H9N2O)(C2H3O2)(C12H10N2O)], is a neutral CuII complex with a primary N3O2 coordination sphere. The Cu centre coordinates to both a deprotonated and a neutral molecule of N‐phenylpyridine‐2‐carboxamide and also to an acetate anion. The coordination around the metal centre is asymmetric, the deprotonated ligand providing two N donor atoms [Cu—N = 1.995 (2) and 2.013 (2) Å] and the neutral ligand providing one N and one O donor atom to the coordination environment [Cu—N = 2.042 (2) Å and Cu—O = 2.2557 (19) Å], the fifth donor being an O atom of the acetate ion [Cu—O = 1.9534 (19) Å]. The remaining O atom from the acetate ion can be considered as a weak donor atom [Cu—O = 2.789 (2) Å], conferring to the Cu complex an asymmetric octahedral geometry. The crystal structure is stabilized by intermolecular N—H...O, C—H...O and C—H...π interactions.  相似文献   

8.
The crystal structures of tris(2‐methyl­quinolin‐8‐olato‐N,O)­iron(III), [Fe­(C10­H8­NO)3], (I), and aqua­bis(2‐methyl­quinolin‐8‐olato‐N,O)­copper(II), [Cu­(C10­H8NO)2­(H2O)], (II), have been determined. Compound (I) has a distorted octahedral configuration, in which the central Fe atom is coordinated by three N atoms and three O atoms from three 2‐methylquinolin‐8‐olate ligands. The three Fe—O bond distances are in the range 1.934 (2)–1.947 (2) Å, while the three Fe—N bond distances range from 2.204 (2) to 2.405 (2) Å. In compound (II), the central CuII atom and H2O group lie on the crystallographic twofold axis and the coordination geometry of the CuII atom is close to trigonal bipyramidal, with the three O atoms in the basal plane and the two N atoms in apical positions. The Cu—N bond length is 2.018 (5) Å. The Cu—O bond length in the basal positions is 1.991 (4) Å, while the Cu—O bond length in the apical position is 2.273 (6) Å. There is an intermolecular OW—H?O hydrogen bond which links the mol­ecules into a linear chain along the b axis.  相似文献   

9.
The title complex, [Cu(ClO4)2(C9H13N5O)(CH3OH)], was synthesized from a methanolysis reaction of N‐(methylpyridin‐2‐yl)cyanoguanidine (L3) and copper(II) perchlorate hexahydrate in a 1:1 molar ratio. The CuII ion is six‐coordinated by an N3O3 donor set which confers a highly distorted and asymmetric octahedral geometry. Three N‐donor atoms from the chelating 1‐(methoxymethanimidoyl)‐2‐(pyridin‐2‐ylmethyl)guanidine (L3m) ligand and one O atom from the methanol molecule define the equatorial plane, with two perchlorate O atoms in the apical sites, one of which has a long Cu—O bond of 2.9074 (19) Å. The dihedral angle between the five‐ and six‐membered chelate rings is 8.21 (8)°. Two molecules are associated into a dimeric unit by intermolecular N—H...O(perchlorate) hydrogen bonds. Additionally, the weakly coordinated perchlorate anions also link adjacent [Cu(ClO4)2(L3m)(CH3OH)] dimers by hydrogen‐bonding interactions, resulting in a two‐dimensional layer in the (100) plane. Further C—H...O hydrogen bonds link the two‐dimensional layers along [100] to generate a three‐dimensional network.  相似文献   

10.
In bis­[1‐(3‐pyridyl)butane‐1,3‐dionato]copper(II) (the Cu atom occupies a centre of inversion), [Cu(C9H8NO2)2], (I), and bis­[1‐(4‐pyridyl)butane‐1,3‐dionato]copper(II) methanol solvate, [Cu(C9H8NO2)2]·CH3OH, (II), the O,O′‐chelating diketonate ligands support square‐planar coordination of the metal ions [Cu—O = 1.948 (1)–1.965 (1) Å]. Weaker Cu⋯N inter­actions [2.405 (2)–2.499 (2) Å], at both axial sides, occur between symmetry‐related bis­(1‐pyridylbutane‐1,3‐dion­ato)copper(II) mol­ecules. This causes their self‐organization into two‐dimensional square‐grid frameworks, with uniform [6.48 Å for (I)] or alternating [4.72 and 6.66 Å for (II)] inter­layer separations. Guest methanol mol­ecules in (II) reside between the distal layers and form weak hydrogen bonds to coordinated O atoms [O⋯O = 3.018 (4) Å].  相似文献   

11.
The crystal structure of the title compound, [Cu(C4H10N5)2]·H2O, contains two independent copper N,N‐di­methyl­biguanide complex units, each with square‐planar coordination of the Cu atom by four N atoms. The two complexes have different symmetry, with one Cu atom lying on an inversion centre and the other on a twofold rotation axis. The Cu—N bond lengths are 1.923 (2) and 1.950 (2) Å in the centrosymmetric complex, and 1.928 (2) and 1.938 (2) Å in the non‐centrosymmetric complex. The crystal structure is stabilized by N—H⋯O, O—H⋯N and N—H⋯N hydrogen bonds; each water mol­ecule forms four hydrogen bonds involving three different Cu complexes.  相似文献   

12.
In the crystal structure of the title compound, [Cu3Cl6(C4H6N4)4]n, there are three Cu atoms, six Cl atoms and four 2‐allyl­tetrazole ligands in the asymmetric unit. The polyhedron of one Cu atom adopts a flattened octahedral geometry, with two 2‐allyl­tetrazole ligands in the axial positions [Cu—N4 = 1.990 (2) and 1.991 (2) Å] and four Cl atoms in the equatorial positions [Cu—Cl = 2.4331 (9)–2.5426 (9) Å]. The polyhedra of the other two Cu atoms have a square‐pyramidal geometry, with three basal sites occupied by Cl atoms [Cu—Cl = 2.2487 (9)–2.3163 (8) and 2.2569 (9)–2.3034 (9) Å] and one basal site occupied by a 2‐allyl­tetrazole ligand [Cu—N4 = 2.028 (2) and 2.013 (2) Å]. A Cl atom lies in the apical position of either pyramid [Cu—Cl = 2.8360 (10) and 2.8046 (9) Å]. The possibility of including the tetrazole N3 atoms in the coordination sphere of the two Cu atoms is discussed. Neighbouring copper polyhedra share their edges with Cl atoms to form one‐dimensional polymeric chains running along the a axis.  相似文献   

13.
In the title compound, [CuCl(C6H6N4)(H2O)][Cu(C4H5NO4)Cl]·H2O, the CuII atom in the cation is coordinated by one Cl ion, two N atoms of the 2,2′‐biimidazole ligand and one aqua ligand. Within the anion, the CuII atom is bonded to one Cl ion, and one N and two O atoms of the imino­diacetate ligand. Neighbouring cations and anions are connected to each other by Cu·Cl semi‐coordination bonds of 2.830 (12) and 3.071 (12) Å, forming a Cu2Cl2 rectangular unit. The dinuclear units further link into a polymeric chain along the a axis through Cu·Oaqua interactions of 2.725 (3) Å. Including the long coordination bonds, the geometries around the Cu atoms in the cation and anion are square‐pyramidal and distorted octahedral, respectively.  相似文献   

14.
The structure of the title compound, [U(C14H9N3O2)O2(CH3OH)2]·CH3OH, is the first to be reported for an actinide complex including triazole ligands. The UVI atom exhibits a pentagonal–bipyramidal NO6 coordination environment, involving two axial oxide ligands [U=O = 1.766 (3) and 1.789 (3) Å], four equatorial O atoms [U—O = 2.269 (3)–2.448 (3) Å] from the ligand and the two coordinated methanol molecules, and one equatorial N atom [U—N = 2.513 (4) Å] from the ligand. In the crystal structure, the complex molecules are linked via intermolecular N—H...O and O—H...O hydrogen bonds to form a two‐dimensional structure.  相似文献   

15.
Three 3, 5‐dimethylpyrazole (pz*) copper(II) complexes, [Cu(pz*)4(H2O)](ClO4)2 ( 1 ), [Cu(pz*)2(NCS)2]·H2O ( 2 ), and [Cu(pz*)2(OOCCH=CHCOO)(H2O)]·1.5H2O ( 3 ), have been synthesized and characterized with single crystal X‐ray structure analysis. 1 crystallizes in the tetragonal space group, 14/m, with a = 14.027 (3) Å, c = 16.301 (5) Å, and Z = 4. 2 crystallizes in the monoclinic space group, P21/c, with a = 8.008 (3) Å, b = 27.139 (9) Å, c = 8.934 (3) Å, β = 106.345 (6)°, and Z = 4. 3 crystallizes in the triclinic space group, P1¯, with a = 7.291 (9) Å, b = 10.891 (13) Å, c = 11.822 (14) Å, α = 80.90 (2)°, β = 79.73(2)°, γ = 70.60(2)°, and Z = 2. In 1 , one water molecule and four pz* ligands are coordinated to CuII. Two [Cu(pz*)4(H2O)]2+ units are connected to ClO4 via hydrogen bonds. One lattice water molecule is found in the unit cell of 2 , which forms an one‐dimensional chain via intermolecular hydrogen bonds with the N‐H atom of pz*. In 3 , the oxygen atom of the coordinated water molecule is connected with two C=O groups of two neighbouring maleic acid molecules to form a linear parallelogram structure. Another C=O group of maleic acid forms a hydrogen bond with the N‐H atom of pz* to create a two‐dimensional structure. The spectroscopic and bond properties are also discussed.  相似文献   

16.
A new assembly [Cu2(sac)2(μ‐dmea)2(μ‐H2O)]n (sac = saccharinate and Hdmea = 2‐dimethylaminoethanol) has been synthesized and characterized by elemental analysis, IR spectroscopy, thermal analysis and single crystal X‐ray diffraction. The complex crystallizes in the monoclinic space group C2/c and consists of dinuclear modules of [Cu2(sac)2(dmea)2]. The sac ligand is N‐coordinated, while the dmea ligand is in the deprotanated form by losing the ethanol hydrogen atom and acts as a bidentate donor through the alkoxo group and N atom. The alkoxo group also serves as a bridge between two copper(II) ions, leading to an intra‐dimer Cu···Cu separation of 3.0229(7) Å. The dimeric units are bridged by aqua ligands to generate a one‐dimensional water‐bridged helical chain, in which the copper(II) ions exhibit a distorted square‐pyramidal CuN2O3 coordination. The Cu–Cu distance in the chain separated by the bridging aqua ligands is 5.297Å. The polymeric chains are further linked by π(sac)···π(sac) and C–H···π(sac) interactions into a two‐dimensional supramolecular network.  相似文献   

17.
In the crystal structure of the title compound, [Cu(C2N3)2(C12H12N2)]n, the CuII atom adopts a distorted square‐pyramidal geometry, the basal plane of which is formed by two N atoms of the bi­pyridine ligand, one N atom of a bidentate dicyan­amide anion and one N atom of a monodentate dicyan­amide anion [Cu—N = 1.9760 (15)–2.0157 (15) Å]. The apical position is occupied by an N atom of a bidentate dicyan­amide anion, located 2.2468 (16) Å from the Cu atom, thus forming a one‐dimensional polymeric chain.  相似文献   

18.
Metal Complexes with N2O2S2 Donor Set. Synthesis and Characterization of the Cobalt(II), Nickel(II), and Copper(II) Complexes of a 15‐ and a 16‐Membered Bis(2‐hydroxyethyl) Pendant Macrocyclic Ligand The macrocyclic ligands 6, 10‐bis(2‐hydroxyethyl)‐7, 8, 9, 11, 17, 18‐hexahydro‐dibenzo‐[e, n][1, 4, 8, 12]‐dithiadiaza‐cyclopentadecine ( 1 ) (L1) and 5, 13‐bis(2‐hydroxyethyl)‐7, 8, 9, 10, 16, 17, 18, 19, 20‐nonahydro‐dibenzo‐[g, o][1, 9, 5, 13]‐dithiadiaza‐cyclohexadecine (L4) have been prepared. They form the stable complexes [CoL1(‐H)CoL1](ClO4)3 ( 2 ), [NiL1](ClO4)2·MeOH ( 3 ), Λ‐[CuL1](ClO4)2·MeOH ( 4a ) and rac‐[CuL1](ClO4)2·MeOH ( 4b ), [NiL4](ClO4)2 ( 5 ), and [CuL4](ClO4)2 ( 6 ). The compounds 1 to 6 have been characterized by standard methods and single‐crystal X‐ray diffraction. In the complexes 2 to 6 the metal atoms are octahedrally coordinated by the N2O2S2 donor set of the ligands. L1 and L4 are folded herein along the N···M···S‐ and the N···M···N′‐axes, respectively. This results at the metal atom in a allcis‐configuration for the complexes of L1 and a trans‐N2cis‐O2cis‐S2‐configuration for the complexes of L4. The cobalt(II) complex 2 is a dimer, bridged by a rather short hydrogen bridge of 2.402(12)Å length. The copper(II) complexes of L1 and L4 differ with respect to the Jahn‐Teller‐distortion.  相似文献   

19.
In the title complex, poly[copper(II)‐di‐μ‐5‐carboxy‐1H‐imidazole‐4‐carboxyl­ato], [Cu(C5H3N2O4)2]n or [Cu(H2Imda)2]n, each imidazole moiety is bonded to the Cu atom via O and N atoms to give a square‐planar coordination [Cu—O = 2.014 (2) and 2.016 (2) Å, and Cu—N = 1.982 (3) and 1.992 (2) Å]. The distorted square‐pyramidal geometry at the Cu atom results from coordination to an adjacent O atom [Cu—O = 2.305 (2) Å], which generates zigzag chains. There is a sixth, weaker, octahedral coordination to the Cu atom from an inversion‐related O atom [Cu—O = 3.090 (2) Å], which links the chains into sheets in the (100) plane. Imidazole moieties in the sheets are linked in the [100] direction by pairs of N—H⋯O and C—H⋯O hydrogen bonds, thus generating a three‐dimensional network.  相似文献   

20.
Three copper(II) complexes of the polydentate N‐donor ligand [4‐(4,6‐bis(1H‐pyrazol‐1‐yl)‐1,3,5‐triazin‐2‐yl)morpholine] (L) with chlorides, nitrates, and perchlorates as anions, namely, [CuCl2(L)] · 0.5(MeCN) ( 1 ), [Cu(NO3)2(H2O)(L)] · (MeCN) ( 2 ), and [Cu(L)2](ClO4)2 · (MeCN) ( 3 ) were synthesized and structurally characterized by IR, elemental analysis and X‐ray crystallographic analysis. In these complexes, the L ligand binds the copper(II) cation in the tridentate N3 form. The coordination arrangement around the central copper(II) atom is distorted square‐pyramidal in 1 but it is distorted octahedral in 2 and 3 . The interesting noncovalent interactions such as hydrogen bonds, π–π stacking, and anion–π interactions present in the solid‐state structures are discussed. The crystal results reveal that the counteranions play important roles in determining the diverse structures of these complexes. Moreover, the PXRD, TG, DRS, and fluorescence properties of compounds 1 – 3 were investigated.  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号